Information card for entry 8106991

Structure parameters

• Formula: C28 H22 N6 O5 Zn
• Calculated formula: C28 H22 N6 O5 Zn
• Title of publication: Crystal structure of catena-poly[(μ3-5-(4-(tetrazol-1-id-5-yl)phenoxy)benzene-1,3-dicarboxyato-κ3 O:O′:N)(4-(3-(pyridin-4-yl)propyl)pyridinium-κN)zinc(II)], C28H22ZnN6O5
• Authors of publication: Miao, Juan; Wei, Xue-Feng; Shi, Ling-Ling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 737 - 739
• a: 9.94 ± 0.0009 Å
• b: 10.1638 ± 0.0008 Å
• c: 13.0867 ± 0.0011 Å
• α: 97.678 ± 0.007°
• β: 94.73 ± 0.007°
• γ: 98.694 ± 0.007°
• Cell volume: 1288.09 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No